SCHEMBL3543803

SCHEMBL3543803

CCN(CC)c1cccc(Oc2ccc3nc(-c4ccc(OCc5ccccc5)cc4)n(CC4CCCC4)c3c2)c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.46
NR1H4 Q96RI1 4/20 0.45
VDR P11473 3/20 0.45
DRD2 P14416 5/20 0.43
DRD3 P35462 5/20 0.43
ABCC1 P33527 1/20 0.42
ACSS2 Q9NR19 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PDE6D O43924 1/20 0.38
ROCK2 O75116 1/20 0.38
RORC P51449 1/20 0.38
ALOX5AP P20292 1/20 0.38
ESR1 P03372 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1283262 0.83 DRD3 (0.60) ALOX5NR1H4VDRDRD2DRD3
SCHEMBL1284122 0.70 DRD3 (0.53) NR1H4VDRDRD2DRD3
SCHEMBL1283543 0.69 DRD3 (0.68) DRD2DRD3ACSS2PDE6D
SCHEMBL10592238 0.68 BCHE (0.61)
SCHEMBL1283352 0.68 DRD3 (0.59) DRD2DRD3ACSS2PDE6D
SCHEMBL20641328 0.68 ACSS2 (0.49) ALOX5ACSS2ROCK2
SCHEMBL5794259 0.68 GHSR (0.73) ABCC1PDE6D
SCHEMBL1283259 0.67 DRD3 (0.61) DRD2DRD3ACSS2PDE6D
SCHEMBL10592227 0.66 BCHE (0.54)
SCHEMBL2357093 0.66 VDR (0.61) NR1H4VDRACSS2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7737285-B2 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. (US) 2010-06-15 US disclosed
US-20070213347-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA (US) 2007-09-13 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070213347-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents AGER, S100A4, S100B ALOX5 1411/4885NR1H4 1565/4885VDR 825/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.